N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine

C14H20BrClN2O — CID 66158580

IUPACN-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
SMILESCCNCC1OCCN(C)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C14H20BrClN2O/c1-3-17-9-13-14(18(2)6-7-19-13)11-8-10(16)4-5-12(11)15/h4-5,8,13-14,17H,3,6-7,9H2,1-2H3
InChIKeyOVMHEUGFRLJYMT-UHFFFAOYSA-N
MW347.68 g/mol
LogP3.08
Rot. Bonds4

About N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine

N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine (PubChem CID 66158580) has the molecular formula C14H20BrClN2O and a molecular weight of 347.68 g/mol. Its IUPAC name is N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
PubChem CID66158580
Molecular FormulaC14H20BrClN2O
Molecular Weight347.68 g/mol
Exact Mass346.04
IUPAC NameN-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine
SMILESCCNCC1OCCN(C)C1c1cc(Cl)ccc1Br
InChIInChI=1S/C14H20BrClN2O/c1-3-17-9-13-14(18(2)6-7-19-13)11-8-10(16)4-5-12(11)15/h4-5,8,13-14,17H,3,6-7,9H2,1-2H3
InChIKeyOVMHEUGFRLJYMT-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.68
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine (CID 66158580) is N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine is CCNCC1OCCN(C)C1c1cc(Cl)ccc1Br.
What is the InChIKey of N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
The InChIKey is OVMHEUGFRLJYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2O/c1-3-17-9-13-14(18(2)6-7-19-13)11-8-10(16)4-5-12(11)15/h4-5,8,13-14,17H,3,6-7,9H2,1-2H3.
What are the key properties of N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine?
N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine has a molecular weight of 347.68 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bromo-5-chlorophenyl)-4-methylmorpholin-2-yl]methyl]ethanamine is sourced from PubChem (CID 66158580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).